12-methyl-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10,12,14-tetraene hydrochloride

• ChemBase ID: 51102
• Molecular Formular: C15H19ClN2
• Molecular Mass: 262.77776
• Monoisotopic Mass: 262.1236763
• SMILES: n12c3c(c4c1ccc(c4)C)CCCC3NCC2.Cl
• Canonical SMILES: Cc1ccc2c(c1)c1CCCC3c1n2CCN3.Cl
• InChI: InChI=1S/C15H18N2.ClH/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13;/h5-6,9,13,16H,2-4,7-8H2,1H3;1H
• InChIKey: LIFOOCLGAAEVIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12-methyl-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-9(16),10,12,14-tetraene hydrochloride; 12-methyl-1,4-diazatetracyclo[7.6.1.0^5,^1^6.0^1^0,^1^5]hexadeca-9(16),10,12,14-tetraene hydrochloride
• IUPAC Traditional name: pirlindole hydrochloride
• Synonyms: 8-Methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino-[3,2,1-jk]carbazole hydrochloride

Database IDs

• MDL Number: MFCD00220370
• PubChem SID: 162055865
• PubChem CID: 115141

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.20114201
• LogD (pH = 7.4): 1.8169626
• Log P: 3.1047232
• Molar Refractivity: 70.4207 cm^3
• Polarizability: 28.33594 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds